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Compound Detail

CHEMBL8759

EGLUMETAD
🧪 Phase II
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🧪 Phase II
N[C@@]1(C(=O)O)CC[C@H]2[C@H](C(=O)O)[C@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL8759
Name EGLUMETAD
Phase Phase II
Structure Type MOL
InChI Key VTAARTQTOOYTES-RGDLXGNYSA-N

Known Names

Eglumetad Eglumetad anhydrous LY-354740 LY354740
9
Targets
63
Activities
3
Assay Types
5
PK Parameters
20
Publications
4
Known Names

Molecular Properties

185.2
MW (Da)
-0.49
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Year 2000

Extended Properties

Molecular Formula C8H11NO4
MW 185.18
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 1.31

Activity Summary

EC50 35 meas. best 8.29
Ki 21 meas. best 7.96
IC50 7 meas. best 8.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 2
CHEMBL5137
 EC50 8.29 8.0325 5.1 8
Metabotropic glutamate receptor 2
CHEMBL2851
 EC50 8.25 7.3043 5.6 7
Metabotropic glutamate receptor 2
CHEMBL5137
 IC50 8.25 8.2 5.6 2
Group II metabotropic glutamate receptor (mGlu2/mGlu3)
CHEMBL4106154
 EC50 8.01 8.01 9.8 1
Metabotropic glutamate receptor 2
CHEMBL5137
 Ki 7.96 7.3238 11.0 8
Metabotropic glutamate receptor 2
CHEMBL2851
 Ki 7.63 7.63 23.4 1
Metabotropic glutamate receptor 3
CHEMBL2888
 EC50 7.61 7.4238 24.3 8
Metabotropic glutamate receptor 3
CHEMBL3067
 EC50 7.57 6.3525 27.0 4
Metabotropic glutamate receptor 3
CHEMBL2888
 IC50 7.55 7.55 27.9 1
Unchecked
CHEMBL612545
 EC50 7.5 7.5 32.0 1
Metabotropic glutamate receptor 3
CHEMBL2888
 Ki 7.42 7.05 38.0 7
Metabotropic glutamate receptor 3
CHEMBL3067
 Ki 7.27 7.27 53.5 1
Rattus norvegicus
CHEMBL376
 EC50 7.26 7.165 55.0 2
Unchecked
CHEMBL612545
 IC50 6.75 6.6133 180.0 3
Group II metabotropic glutamate receptor (mGlu2/mGlu3)
CHEMBL4106154
 Ki 6.32 6.32 476.0 1
Metabotropic glutamate receptor 6
CHEMBL4573
 Ki 5.52 5.52 3000.0 1
Metabotropic glutamate receptor 6
CHEMBL4573
 EC50 5.52 5.495 2990.0 2
Metabotropic glutamate receptor 8
CHEMBL3228
 EC50 4.94 4.94 11470.0 2
Metabotropic glutamate receptor 8
CHEMBL3228
 Ki 4.92 4.92 12000.0 1

Pharmacokinetic Data

Parameter Value Units Species
Cmax 14.0 ng/g Mus musculus
Cmax 11448.32 nM Mus musculus
Cmax 76.0 ng/g Mus musculus
T1/2 6.8 hr Mus musculus
T1/2 69.0 hr Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 2 EC50 = 5.1 nM 8.29 Agonistic activity against Human Metabotropic glutamate receptor 2 9572889
Metabotropic glutamate receptor 2 EC50 = 5.1 nM 8.29 Compound was evaluated for agonist activity against human mGluR2 9871513
Metabotropic glutamate receptor 2 EC50 = 5.6 nM 8.25 Agonist activity at rat mGlu2 38170918
Metabotropic glutamate receptor 2 IC50 = 5.6 nM 8.25 Antagonist activity at human mGlu2 receptor expressed in golden Syrian hamster A... 23675965
Metabotropic glutamate receptor 2 EC50 = 7.0 nM 8.15 Agonist activity at human recombinant mGlu2 receptor expressed in AV12 cells ass... 26313429
Metabotropic glutamate receptor 2 EC50 = 7.0 nM 8.15 Agonist activity at human mGlu2 receptor expressed in HEK cells assessed as inhi... 29350927
Metabotropic glutamate receptor 2 IC50 = 7.0 nM 8.15 Agonist activity at mGlu2 (unknown origin) 28002967
Group II metabotropic glutamate receptor (mGlu2/mGlu3) EC50 = 9.8 nM 8.01 Agonist activity at mGlu2/3 receptor in Sprague-Dawley rat forebrain assessed as... 29350927
Metabotropic glutamate receptor 2 EC50 = 10.0 nM 8.0 Evaluation of the functional effect on cAMP responses in RGT cells expressing hu... 15887967
Metabotropic glutamate receptor 2 EC50 = 11.1 nM 7.96 Inhibition of forskolin stimulated cAMP production in RGT cells expressing recom... 10090786
Metabotropic glutamate receptor 2 EC50 = 11.1 nM 7.96 Agonist activity at human mGluR2 assessed as effect on cAMP production in RGT ce... 17228865
Metabotropic glutamate receptor 2 Ki = 11.0 nM 7.96 Agonist potency against cloned Metabotropic glutamate receptor 2 (mGluR-2). 10893301
Metabotropic glutamate receptor 2 Ki = 13.0 nM 7.89 Binding affinity at Metabotropic glutamate receptor 2 12109902
Metabotropic glutamate receptor 2 EC50 = 18.3 nM 7.74 Agonist activity against Metabotropic glutamate receptor 2 expressed in CHO cell... 11123999
Metabotropic glutamate receptor 2 Ki = 23.4 nM 7.63 Tested for binding affinity against Metabotropic glutamate receptor 2 in CHO cel... 11123999
Metabotropic glutamate receptor 3 EC50 = 24.3 nM 7.61 Agonistic activity against Human Metabotropic glutamate receptor 3 9572889
Metabotropic glutamate receptor 3 EC50 = 27.0 nM 7.57 Agonist activity at rat mGlu3 38170918
Metabotropic glutamate receptor 3 EC50 = 27.1 nM 7.57 Agonist activity at human mGlu3 receptor expressed in golden Syrian hamster AV12... 23675965
Metabotropic glutamate receptor 3 EC50 = 27.9 nM 7.55 Agonist activity at human mGlu3 receptor expressed in HEK cells assessed as inhi... 29350927
Metabotropic glutamate receptor 3 EC50 = 27.9 nM 7.55 Agonist activity at human recombinant mGlu3 receptor expressed in AV12 cells ass... 26313429

Literature References

PubMed DOI Target Context # Activities
11123999 10.1021/jm000346k Rattus norvegicus 14
- 10.6019/CHEMBL5058564 Fibroblast 9
- 10.6019/CHEMBL5058564 U2OS 8
9046344 10.1021/jm9606756 Rattus norvegicus 6
9046344 10.1021/jm9606756 Mus musculus 5
38170918 10.1021/acs.jmedchem.3c01811 ADMET 5
26313429 10.1021/acs.jmedchem.5b01124 Metabotropic glutamate receptor 2 5
26313429 10.1021/acs.jmedchem.5b01124 Metabotropic glutamate receptor 3 5
38170918 10.1021/acs.jmedchem.3c01811 Metabotropic glutamate receptor 2 5
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
11123999 10.1021/jm000346k Metabotropic glutamate receptor 2 3
11123999 10.1021/jm000346k Metabotropic glutamate receptor 3 3
16078848 10.1021/jm050235r Rattus norvegicus 3
29350927 10.1021/acs.jmedchem.7b01481 Group II metabotropic glutamate receptor (mGlu2/mGlu3) 3
- 10.6019/CHEMBL5058564 HEK-293T 3
29350927 10.1021/acs.jmedchem.7b01481 Metabotropic glutamate receptor 3 3
29350927 10.1021/acs.jmedchem.7b01481 Metabotropic glutamate receptor 2 3
9046344 10.1021/jm9606756 Glutamate receptor ionotropic, kainate 3
9046344 10.1021/jm9606756 Glutamate receptor ionotropic, AMPA 3
9046344 10.1021/jm9606756 Glutamate NMDA receptor 3

Data from ChEMBL 36 via Core Engine